CID 245417

Butyl butyl(phenyl)carbamate

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCCCN(C1=CC=CC=C1)C(=O)OCCCC
InChI
InChI=1S/C15H23NO2/c1-3-5-12-16(14-10-8-7-9-11-14)15(17)18-13-6-4-2/h7-11H,3-6,12-13H2,1-2H3
InChIKey
ACGUMJCTUKRBQF-UHFFFAOYSA-N
Compound name
butyl N-butyl-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

249.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 162.1
[M+Na]+ 272.16210 166.4
[M-H]- 248.16560 166.1
[M+NH4]+ 267.20670 179.6
[M+K]+ 288.13604 165.2
[M+H-H2O]+ 232.17014 154.6
[M+HCOO]- 294.17108 185.9
[M+CH3COO]- 308.18673 200.4
[M+Na-2H]- 270.14755 165.3
[M]+ 249.17233 166.1
[M]- 249.17343 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe